2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine

C12H19N3O — CID 63825844

IUPAC2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine
SMILESNc1cccnc1NCCOC1CCCC1
InChIInChI=1S/C12H19N3O/c13-11-6-3-7-14-12(11)15-8-9-16-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9,13H2,(H,14,15)
InChIKeyZDPCTIQUWOUMCT-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.03
Rot. Bonds5

About 2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine

2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine (PubChem CID 63825844) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine
PubChem CID63825844
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine
SMILESNc1cccnc1NCCOC1CCCC1
InChIInChI=1S/C12H19N3O/c13-11-6-3-7-14-12(11)15-8-9-16-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9,13H2,(H,14,15)
InChIKeyZDPCTIQUWOUMCT-UHFFFAOYSA-N
XLogP2.03
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine
CID 104540407
N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 55031819
4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine
CID 79917375
3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide
CID 103306082
N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 133308692
3-chloro-2-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine
CID 63823896
2-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine
CID 106394208
2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine
CID 115550552
3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine
CID 113420486
N-(2-cyclopentyloxyethyl)thieno[3,2-c]pyridin-4-amine
CID 55219716
N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine
CID 63870698
6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine
CID 80647858

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine?
The IUPAC name of 2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine (CID 63825844) is 2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine is Nc1cccnc1NCCOC1CCCC1.
What is the InChIKey of 2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine?
The InChIKey is ZDPCTIQUWOUMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-11-6-3-7-14-12(11)15-8-9-16-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9,13H2,(H,14,15).
What are the key properties of 2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine?
2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine has a molecular weight of 221.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine is sourced from PubChem (CID 63825844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).